SCHEMBL5765600

SCHEMBL5765600

COC(=O)Cn1ccnc1-c1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
PLAA Q9Y263 2/20 0.39
ALPG P10696 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 1/20 0.37
ESR1 P03372 1/20 0.37
ALPL P05186 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALPI P09923 1/20 0.37
CASP3 P42574 1/20 0.36
POLB P06746 1/20 0.36
FPR2 P25090 1/20 0.36
GFER P55789 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2960305 0.80 ALPL (0.50) SMN1; SMN2PLAAALPGALDH1A1GAA
SCHEMBL3055990 0.77 AGTR2 (0.43) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3065532 0.76 GRIN1 (0.38) SMN1; SMN2ALDH1A1GAAKDM4EKMT2A
SCHEMBL13010096 0.76 TLR8 (0.45) SMN1; SMN2ALDH1A1GAAKDM4EKMT2A
SCHEMBL5766732 0.76 PLAA (0.44) PLAAALPGALDH1A1KDM4EESR1
SCHEMBL3582565 0.74 FPR2 (0.43) SMN1; SMN2PLAAALPGALDH1A1GAA
SCHEMBL4963238 0.73 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1GAAKDM4EKMT2A
SCHEMBL3594313 0.73 GFER (0.56) SMN1; SMN2ALDH1A1GAAKMT2APOLB
SCHEMBL3581846 0.72 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1GAAKDM4EKMT2A
SCHEMBL13072246 0.72 SMN1; SMN2 (0.39) SMN1; SMN2PLAAALPGALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506194-B1 SUBSTITUTED RING-FUSED IMIDAZOLE DERIVATES: GABA sb A /sb RECEPTOR LIGANDS NEUROGEN CORP (US) 2006-07-19 EP disclosed
US-6916827-B2 Substituted ring-fused imidazole derivative: GABAA receptors ligands NEUROGEN CORPORATION (US) 2005-07-12 US disclosed
EP-1506194-A1 SUBSTITUTED RING-FUSED IMIDAZOLE DERIVATES: GABA sb A /sb RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-02-16 EP disclosed
US-20040014780-A1 Substituted ring-fused imidazole derivative: GABAA receptors ligands NEUROGEN CORPORATION 2004-01-22 US disclosed
WO-2003097643-A1 SUBSTITUTED RING-FUSED IMIDAZOLE DERIVATES: GABAA RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2003-11-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040014780-A1 Substituted ring-fused imidazole derivative: GABAA receptors ligands GABRB1, GABRA1, GABRB3 SMN1; SMN2 850/4885PLAA 4545/4885ALPG 3222/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.